2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide

C17H18N4O2S2 — CID 110221794

IUPAC2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCc1csc(C(Cc2cccs2)NC(=O)Cn2nc(C)ccc2=O)n1
InChIInChI=1S/C17H18N4O2S2/c1-11-5-6-16(23)21(20-11)9-15(22)19-14(8-13-4-3-7-24-13)17-18-12(2)10-25-17/h3-7,10,14H,8-9H2,1-2H3,(H,19,22)
InChIKeyQEVXSLLYWWHDNW-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.48
Rot. Bonds6

About 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide

2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide (PubChem CID 110221794) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
PubChem CID110221794
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCc1csc(C(Cc2cccs2)NC(=O)Cn2nc(C)ccc2=O)n1
InChIInChI=1S/C17H18N4O2S2/c1-11-5-6-16(23)21(20-11)9-15(22)19-14(8-13-4-3-7-24-13)17-18-12(2)10-25-17/h3-7,10,14H,8-9H2,1-2H3,(H,19,22)
InChIKeyQEVXSLLYWWHDNW-UHFFFAOYSA-N
XLogP2.48
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide (CID 110221794) is 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide is Cc1csc(C(Cc2cccs2)NC(=O)Cn2nc(C)ccc2=O)n1.
What is the InChIKey of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is QEVXSLLYWWHDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-11-5-6-16(23)21(20-11)9-15(22)19-14(8-13-4-3-7-24-13)17-18-12(2)10-25-17/h3-7,10,14H,8-9H2,1-2H3,(H,19,22).
What are the key properties of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 110221794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).